Geometry & MOs

Info

ID:

385596

PubChem CID:

134979515

Reduced:

NNiO4C13H17 (1)

Stoich.:

ABC4D13E17 (1)

Weight, g/mol:

830.609606

ΔHf, kcal/mol:

-42.79

Dipole, Da:

4.39

IP(EA), eV:

-7.9(-0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,3S,4R,5Z,8R,9S,10S,11R,12R,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienoxy]-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

COC(=O)C=C.COC(=O)C=C.C1=CC=NC=C1.[Ni]

DOS

IR

Vibrations